(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-[methyl-[2-(2-pyridyl)ethyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-[methyl-[2-(2-pyridinyl)ethyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-4-[methyl-[2-(2-pyridyl)ethyl]amino]butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C42H61N7O11 MolecularWeight: 839.97404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N(C)CCC1=CC=CC=N1)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)N(C)C(=O)CC2=CC=C(C=C2)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(CC(=O)N(C)CCC1=CC=CC=N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C(C)C)N(C)C(=O)CC2=CC=C(C=C2)O

InChI

InChI=1S/C42H61N7O11/c1-9-26(6)36(47-41(58)37(25(4)5)49(8)34(52)21-27-13-15-29(50)16-14-27)40(57)45-30(22-33(51)48(7)19-17-28-12-10-11-18-43-28)38(55)44-31(23-35(53)54)39(56)46-32(42(59)60)20-24(2)3/h10-16,18,24-26,30-32,36-37,50H,9,17,19-23H2,1-8H3,(H,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,59,60)/t26-,30?,31-,32-,36-,37-/m0/s1